| CAS Number | 1333953-58-4 |
| Catalog Number | AG01ELFD |
| Chemical Name | N-{2-[(3-bromophenyl)sulfanyl]ethyl}methanesulfonamide |
| IUPAC Name | N-[2-(3-bromophenyl)sulfanylethyl]methanesulfonamide |
| InChI | InChI=1S/C9H12BrNO2S2/c1-15(12,13)11-5-6-14-9-4-2-3-8(10)7-9/h2-4,7,11H,5-6H2,1H3 |
| InChI Key | BOKUQIUNVXEZHH-UHFFFAOYSA-N |
| MDL Number | MFCD31666966 |
| Molecular Formula | C9H12BrNO2S2 |
| Molecular Weight | 310.2311 |
| SMILES | CS(NCCSC1=CC(Br)=CC=C1)(=O)=O |
| Synonyms | N-{2-[(3-bromophenyl)sulfanyl]ethyl}methanesulfonamide,
1333953-58-4,
ZINC69743100,
AKOS033110117,
MCULE-1688805637,
Z1147677170,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.224g/mol |
| Monoisotopic Mass | 308.949g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number